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	hartrees
Energy at 0K	-1349.692068
Energy at 298.15K
HF Energy	-1349.692068
Nuclear repulsion energy	193.011184

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A_g	649	641	0.00	143821.80	0.34	0.51
2	A_g	225	222	0.00	13477.26	0.27	0.43
3	B_1u	422	418	73.67	0.00	0.69	0.81
4	B_2u	159	157	59.59	0.00	0.00	0.00
5	B_3g	425	420	0.00	44239.78	0.75	0.86
6	B_3u	53	52	100.86	0.00	0.00	0.00

Atom	y (Å)	z (Å)
K1	0.000	2.321
K2	0.000	-2.321
O3	0.809	0.000
O4	-0.809	0.000

	K1	K2	O3	O4
K1		4.6411	2.4575	2.4575
K2	4.6411		2.4575	2.4575
O3	2.4575	2.4575		1.6180
O4	2.4575	2.4575	1.6180

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
K1	O3	K2	141.560		K1	O4	K2	141.560
O3	K1	O4	38.440		O3	K2	O4	38.440

All results from a given calculation for K₂O₂ (dipotassium dioxide)

using model chemistry: PBEPBE/TZVP

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	K	0.793
2	K	0.793
3	O	-0.793
4	O	-0.793

<r²>	229.588
(<r²>)^1/2	15.152

All results from a given calculation for K2O2 (dipotassium dioxide)

using model chemistry: PBEPBE/TZVP

States and conformations

All results from a given calculation for K₂O₂ (dipotassium dioxide)